SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 50 mM NACL | 6.2 | 1 ATM SOLVENT SYSTEM : D2O | 298 | |||
| 2 | COSY | 50 mM NACL | 6.2 | 1 ATM SOLVENT SYSTEM : D2O | 298 | |||
| 3 | TOCSY | 50 mM NACL | 6.2 | 1 ATM SOLVENT SYSTEM : D2O | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | GE | -500 | 500 |
| 2 | Bruker | BRUKER AMX-600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | DETAILS CAN BE FOUND IN THE CITATION, NAR, ABOVE. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 12 |
| Conformers Submitted Total Number | 4 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | BRUNGER | |
| 2 | structure solution | X-PLOR | ||
